(4-methylphenyl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-methylphenyl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: p-tolylmethyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid (4-methylphenyl)methyl ester IUPAC Name: (4-methylphenyl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[2-(trifluoromethyl)phenyl]sulfonylisonipecotic acid (4-methylbenzyl) ester Formula: C21H22F3NO4S MolecularWeight: 441.46389

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H22F3NO4S/c1-15-6-8-16(9-7-15)14-29-20(26)17-10-12-25(13-11-17)30(27,28)19-5-3-2-4-18(19)21(22,23)24/h2-9,17H,10-14H2,1H3